N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide

C14H13NOS — CID 166408370

IUPACN-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1-c1ccc(C)s1
InChIInChI=1S/C14H13NOS/c1-3-14(16)15-12-7-5-4-6-11(12)13-9-8-10(2)17-13/h3-9H,1H2,2H3,(H,15,16)
InChIKeyDGWTVFHJZPESKF-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.85
Rot. Bonds3

About N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide

N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide (PubChem CID 166408370) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide
PubChem CID166408370
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC NameN-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1-c1ccc(C)s1
InChIInChI=1S/C14H13NOS/c1-3-14(16)15-12-7-5-4-6-11(12)13-9-8-10(2)17-13/h3-9H,1H2,2H3,(H,15,16)
InChIKeyDGWTVFHJZPESKF-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
CID 166414482
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
N-[2-[[2-(prop-2-enoylamino)phenyl]disulfanyl]phenyl]prop-2-enamide
CID 91082426
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068
N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide
CID 141155435
N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 43616310
methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate
CID 165167900
N-(2-ethynylphenyl)prop-2-enamide
CID 130014031
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide
CID 177272489
N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
CID 122415346
[2-(5-methylthiophen-2-yl)phenyl]methanol
CID 164647346

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide (CID 166408370) is N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1-c1ccc(C)s1.
What is the InChIKey of N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide?
The InChIKey is DGWTVFHJZPESKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-3-14(16)15-12-7-5-4-6-11(12)13-9-8-10(2)17-13/h3-9H,1H2,2H3,(H,15,16).
What are the key properties of N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide?
N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide has a molecular weight of 243.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 166408370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).